#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lqj n GLY 1566N 0.00 -0.73 3.50 0.23 0.00 -1.26 -4.45 105.19 102.48 3lqj n GLY 1566Ca 0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3lqj n GLY 1566CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3lqj s ASN 1567N -2.06 6.76 -0.18 1.61 0.01 -1.26 -4.91 114.94 114.90 3lqj s ASN 1567Ca 0.32 -2.26 -0.16 0.00 -0.71 0.00 0.00 52.86 50.05 3lqj s ASN 1567Cb 0.15 -2.46 0.05 0.00 0.41 0.00 0.00 41.25 39.40 3lqj s ASN 1567CO 0.27 -1.08 0.48 0.72 -1.51 0.00 0.00 177.10 175.98 3lqj s PHE 1568N 3.07 -0.53 0.13 2.20 -0.12 -1.26 -2.08 117.98 119.38 3lqj s PHE 1568Ca 0.41 1.29 -0.31 0.00 -0.05 0.00 0.00 56.93 58.27 3lqj s PHE 1568Cb -0.02 0.19 -0.09 0.00 -0.63 0.00 0.00 43.02 42.47 3lqj s PHE 1568CO -0.04 -0.26 1.45 0.00 -0.05 0.00 0.00 175.22 176.32 3lqj h PRO 1570N 6.86 0.00 0.01 0.00 0.13 -1.90 0.11 132.00 137.21 3lqj h PRO 1570Ca -0.42 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.51 3lqj h PRO 1570Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 3lqj h PRO 1570CO 0.88 0.30 -0.77 -0.07 -0.23 0.00 0.00 178.00 178.11 3lqj h LEU 1571N 0.00 0.66 0.00 1.56 3.38 -1.95 -3.34 115.31 115.62 3lqj h LEU 1571Ca -0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 3lqj h LEU 1571Cb 0.54 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3lqj h LEU 1571CO 0.04 1.34 -1.54 0.00 0.09 0.00 0.00 178.44 178.37 3lqj n ASP 1573N -1.91 -0.52 -4.85 0.00 2.03 0.38 -5.01 116.55 106.67 3lqj n ASP 1573Ca -0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 3lqj n ASP 1573Cb 0.45 -0.69 -0.05 0.00 -0.72 0.00 0.00 41.12 40.11 3lqj n ASP 1573CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3lqj s LYS 1574N -0.28 3.96 0.63 -0.67 1.02 -1.25 -4.67 119.74 118.47 3lqj s LYS 1574Ca 0.00 0.68 -0.16 0.00 0.02 0.00 0.00 55.97 56.51 3lqj s LYS 1574Cb 0.00 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 3lqj s LYS 1574CO 0.00 0.05 1.10 0.00 -0.92 0.00 0.00 175.35 175.59 3lqj s TYR 1576N -2.26 0.17 -0.00 0.00 -0.85 -0.88 -4.83 117.35 108.70 3lqj s TYR 1576Ca 0.67 -0.36 -0.19 0.00 -0.52 0.00 0.00 57.07 56.67 3lqj s TYR 1576Cb -0.20 -0.13 -0.05 0.00 0.38 0.00 0.00 41.96 41.95 3lqj s TYR 1576CO 0.38 -0.19 0.56 -0.51 -1.52 0.00 0.00 175.55 174.27 3lqj s ASP 1577N -1.24 6.94 0.39 -0.18 1.01 -1.26 -4.76 116.67 117.57 3lqj s ASP 1577Ca -0.14 1.12 0.27 0.00 0.71 0.00 0.00 52.55 54.52 3lqj s ASP 1577Cb -0.08 -2.34 1.42 0.00 1.01 0.00 0.00 42.92 42.92 3lqj s ASP 1577CO -0.00 0.14 1.82 0.44 0.21 0.00 0.00 175.17 177.78 3lqj h ASP 1578N 5.46 0.00 -0.00 0.27 3.45 -2.01 -2.83 116.42 120.76 3lqj h ASP 1578Ca -0.46 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.00 3lqj h ASP 1578Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3lqj h ASP 1578CO 0.68 0.00 -0.49 -0.90 -1.57 0.00 0.00 179.24 176.96 3lqj n ASP 1579N -2.45 0.74 -4.48 6.45 5.68 -1.26 -4.87 116.55 116.36 3lqj n ASP 1579Ca -0.01 -0.87 -0.43 0.00 -0.50 0.00 0.00 54.79 52.98 3lqj n ASP 1579Cb 0.07 0.88 -0.03 0.00 -1.14 0.00 0.00 41.12 40.90 3lqj n ASP 1579CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 3lqj s ASP 1580N -1.99 6.36 -0.01 -1.12 3.84 -1.07 -4.80 116.67 117.88 3lqj s ASP 1580Ca 0.06 -1.32 0.09 0.00 -0.00 0.00 0.00 52.55 51.38 3lqj s ASP 1580Cb 0.09 -2.45 0.28 0.00 -1.38 0.00 0.00 42.92 39.46 3lqj s ASP 1580CO 0.44 -1.38 1.22 -1.22 -0.00 0.00 0.00 175.17 174.23 3lqj n TYR 1581N 7.73 0.46 1.03 2.11 4.02 -1.26 -3.24 117.16 128.00 3lqj n TYR 1581Ca 0.11 -0.22 0.11 0.00 -0.01 0.00 0.00 57.90 57.89 3lqj n TYR 1581Cb 0.48 -0.02 0.09 0.00 -0.02 0.00 0.00 39.34 39.87 3lqj n TYR 1581CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3lqj n GLU 1582N 0.41 0.22 -2.20 -0.72 0.28 -1.26 -4.91 120.64 112.46 3lqj n GLU 1582Ca 0.11 -0.16 -0.34 0.00 -0.16 0.00 0.00 57.16 56.61 3lqj n GLU 1582Cb 0.29 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.67 3lqj n GLU 1582CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3lqj s SER 1583N -2.89 5.80 -0.53 -1.84 0.15 -1.20 -4.99 113.70 108.19 3lqj s SER 1583Ca 0.12 2.00 -0.12 0.00 0.70 0.00 0.00 55.95 58.65 3lqj s SER 1583Cb 0.17 -2.56 0.13 0.00 -1.71 0.00 0.00 66.02 62.05 3lqj s SER 1583CO 0.73 -1.16 0.44 -0.54 1.20 0.00 0.00 173.24 173.91 3lqj s LYS 1584N -3.58 2.76 0.04 5.44 1.02 -1.26 -5.03 119.74 119.13 3lqj s LYS 1584Ca 0.68 -1.83 -0.00 0.00 0.02 0.00 0.00 55.97 54.84 3lqj s LYS 1584Cb -0.20 -4.10 -0.03 0.00 -0.52 0.00 0.00 37.83 32.98 3lqj s LYS 1584CO 0.30 -1.25 -0.04 -1.64 -0.92 0.00 0.00 175.35 171.79 3lqj s MET 1585N 1.30 0.52 0.11 1.68 -1.94 -1.26 -1.18 119.30 118.53 3lqj s MET 1585Ca 0.06 -0.96 0.08 0.00 -1.71 0.00 0.00 55.69 53.16 3lqj s MET 1585Cb -0.26 0.08 -0.04 0.00 2.01 0.00 0.00 34.83 36.61 3lqj s MET 1585CO -0.00 -0.06 -0.16 -1.64 -0.01 0.00 0.00 175.02 173.15 3lqj s MET 1586N -2.78 1.87 -0.23 2.03 -1.94 0.29 -4.89 119.30 113.65 3lqj s MET 1586Ca -0.03 -1.14 -0.07 0.00 -1.71 0.00 0.00 55.69 52.74 3lqj s MET 1586Cb -0.01 -2.16 -0.03 0.00 2.01 0.00 0.00 34.83 34.64 3lqj s MET 1586CO -0.05 0.49 0.06 -1.14 -0.01 0.00 0.00 175.02 174.37 3lqj s GLN 1587N -2.13 3.73 0.13 2.03 0.74 -1.26 -0.86 119.66 122.03 3lqj s GLN 1587Ca 0.19 -0.45 -0.31 0.00 0.05 0.00 0.00 55.36 54.84 3lqj s GLN 1587Cb -0.11 -3.27 -0.10 0.00 1.10 0.00 0.00 33.01 30.63 3lqj s GLN 1587CO 0.11 -0.05 1.74 0.00 -0.55 0.00 0.00 175.29 176.53 3lqj n GLY 1589N 4.08 -0.87 0.09 0.00 0.00 0.22 -1.40 105.19 107.31 3lqj n GLY 1589Ca 0.17 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3lqj n GLY 1589CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3lqj n LYS 1590N -1.36 0.52 0.00 1.61 4.76 -1.26 -4.71 118.16 117.71 3lqj n LYS 1590Ca 0.06 0.37 0.10 0.00 -2.87 0.00 0.00 58.31 55.97 3lqj n LYS 1590Cb 0.14 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.73 3lqj n LYS 1590CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3lqj n ASP 1592N -0.40 -3.12 -4.88 0.00 8.00 -0.49 -5.01 116.55 110.64 3lqj n ASP 1592Ca 0.07 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.27 3lqj n ASP 1592Cb 0.38 -1.39 0.01 0.00 -0.02 0.00 0.00 41.12 40.10 3lqj n ASP 1592CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3lqj s ARG 1593N -0.62 3.56 -0.01 -1.24 1.70 -1.26 -4.67 118.95 116.42 3lqj s ARG 1593Ca 0.00 0.57 -0.01 0.00 -0.47 0.00 0.00 55.73 55.82 3lqj s ARG 1593Cb 0.00 -2.17 -0.04 0.00 -0.57 0.00 0.00 34.95 32.17 3lqj s ARG 1593CO 0.00 -0.47 0.12 -1.58 -1.08 0.00 0.00 175.30 172.29 3lqj s TRP 1594N -3.05 3.38 -0.03 5.89 0.52 -1.26 -1.13 118.94 123.26 3lqj s TRP 1594Ca 0.53 0.26 0.01 0.00 0.02 0.00 0.00 56.10 56.92 3lqj s TRP 1594Cb -0.11 -1.77 0.01 0.00 -1.15 0.00 0.00 33.47 30.45 3lqj s TRP 1594CO 0.51 0.59 -0.05 0.08 0.02 0.00 0.00 176.95 178.10 3lqj s VAL 1595N -1.24 0.49 0.32 4.03 1.01 -0.04 -4.45 120.40 120.52 3lqj s VAL 1595Ca 0.24 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 3lqj s VAL 1595Cb -0.12 -0.48 -0.11 0.00 0.00 0.00 0.00 36.38 35.67 3lqj s VAL 1595CO 0.15 0.18 1.48 -1.00 0.00 0.00 0.00 175.10 175.91 3lqj s HIS 1596N 0.46 2.78 0.17 5.22 3.76 -1.26 -0.55 115.29 125.87 3lqj s HIS 1596Ca -0.06 1.08 -0.14 0.00 -0.15 0.00 0.00 55.06 55.79 3lqj s HIS 1596Cb -0.09 -3.95 0.06 0.00 1.11 0.00 0.00 32.58 29.71 3lqj s HIS 1596CO -0.00 -2.92 1.79 1.03 -0.85 0.00 0.00 174.74 173.79 3lqj h SER 1597N 3.92 0.64 0.36 1.40 0.87 -1.49 -2.20 113.55 117.06 3lqj h SER 1597Ca -0.49 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 59.96 3lqj h SER 1597Cb 1.23 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 3lqj h SER 1597CO 0.71 0.53 -0.19 0.07 -0.53 0.00 0.00 176.83 177.42 3lqj h LYS 1598N 0.71 0.00 0.00 2.24 2.10 -1.80 -1.55 116.57 118.27 3lqj h LYS 1598Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 3lqj h LYS 1598Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 3lqj h LYS 1598CO -0.03 0.19 0.00 0.00 -2.00 0.00 0.00 179.45 177.61 3lqj n GLU 1600N -2.99 2.65 -3.19 0.00 -0.58 -0.88 -4.92 120.64 110.73 3lqj n GLU 1600Ca 0.03 -2.19 -0.22 0.00 -0.42 0.00 0.00 57.16 54.35 3lqj n GLU 1600Cb 0.42 -1.56 0.05 0.00 -0.57 0.00 0.00 31.44 29.77 3lqj n GLU 1600CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3lqj n ASN 1601N 1.12 -6.09 -4.79 1.62 3.02 -0.72 -4.99 115.26 104.43 3lqj n ASN 1601Ca 0.20 -0.36 -0.36 0.00 -0.03 0.00 0.00 54.58 54.03 3lqj n ASN 1601Cb 0.58 -4.84 -0.07 0.00 -0.61 0.00 0.00 39.78 34.84 3lqj n ASN 1601CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3lqj s LEU 1602N -6.67 4.26 0.78 3.41 1.43 -0.64 -5.01 118.68 116.23 3lqj s LEU 1602Ca 0.39 0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 3lqj s LEU 1602Cb -0.17 -2.07 0.06 0.00 0.03 0.00 0.00 46.19 44.04 3lqj s LEU 1602CO 0.48 0.29 1.09 -0.94 0.23 0.00 0.00 176.35 177.50 3lqj s SER 1603N -0.30 4.66 0.40 2.29 1.04 -1.26 -4.28 113.70 116.24 3lqj s SER 1603Ca 0.11 1.31 0.07 0.00 0.48 0.00 0.00 55.95 57.92 3lqj s SER 1603Cb -0.12 -2.06 0.84 0.00 0.10 0.00 0.00 66.02 64.79 3lqj s SER 1603CO 0.01 -1.87 2.03 0.44 0.98 0.00 0.00 173.24 174.84 3lqj h ASP 1604N -1.02 0.51 -0.19 7.02 3.32 -1.98 -1.17 116.42 122.91 3lqj h ASP 1604Ca -0.47 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 3lqj h ASP 1604Cb 1.26 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3lqj h ASP 1604CO 0.60 0.36 0.09 -0.33 -1.72 0.00 0.00 179.24 178.24 3lqj h GLU 1605N 0.60 0.28 -0.70 3.56 5.08 -1.99 -1.15 114.58 120.25 3lqj h GLU 1605Ca 0.19 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3lqj h GLU 1605Cb 0.04 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3lqj h GLU 1605CO -0.05 0.30 0.32 0.52 -1.00 0.00 0.00 179.01 179.10 3lqj h MET 1606N 0.19 1.01 -0.92 2.33 2.86 -1.72 0.17 114.93 118.85 3lqj h MET 1606Ca 0.07 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3lqj h MET 1606Cb 0.12 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.55 3lqj h MET 1606CO -0.01 0.80 0.60 -0.92 1.06 0.00 0.00 176.91 178.44 3lqj h TYR 1607N 1.00 1.14 -0.37 -0.22 3.20 -0.96 0.11 116.97 120.87 3lqj h TYR 1607Ca 0.24 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.02 3lqj h TYR 1607Cb 0.13 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 3lqj h TYR 1607CO 0.01 0.69 -0.23 0.93 -1.64 0.00 0.00 178.16 177.93 3lqj h GLU 1608N 1.21 0.80 -0.59 1.82 4.39 -0.31 -1.11 114.58 120.79 3lqj h GLU 1608Ca 0.35 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 3lqj h GLU 1608Cb -0.09 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 3lqj h GLU 1608CO -0.09 1.00 0.30 0.82 -1.16 0.00 0.00 179.01 179.88 3lqj h ILE 1609N 0.60 1.20 -0.91 3.13 2.04 -0.46 -2.22 117.51 120.89 3lqj h ILE 1609Ca 0.08 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.40 3lqj h ILE 1609Cb 0.79 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3lqj h ILE 1609CO 0.06 0.23 0.60 -0.07 0.00 0.00 0.00 178.15 178.96 3lqj h LEU 1610N 0.80 1.05 0.00 1.44 3.38 -0.65 0.28 115.31 121.61 3lqj h LEU 1610Ca 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3lqj h LEU 1610Cb 0.08 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3lqj h LEU 1610CO -0.03 0.76 0.00 -1.20 0.09 0.00 0.00 178.44 178.06 3lqj n SER 1611N -4.45 0.00 -0.00 -0.43 7.64 -0.43 -1.96 113.62 113.99 3lqj n SER 1611Ca 0.10 -0.37 0.02 0.00 1.01 0.00 0.00 58.87 59.63 3lqj n SER 1611Cb 0.02 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 3lqj n SER 1611CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3lqj n ASN 1612N -1.01 1.46 -4.50 6.43 4.13 0.89 -5.05 115.26 117.61 3lqj n ASN 1612Ca 0.09 -0.40 -0.31 0.00 1.68 0.00 0.00 54.58 55.64 3lqj n ASN 1612Cb 0.05 1.07 0.18 0.00 -1.54 0.00 0.00 39.78 39.53 3lqj n ASN 1612CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3lqj n LEU 1613N -1.28 0.46 -4.77 3.41 4.77 -0.57 -4.92 117.00 114.10 3lqj n LEU 1613Ca 0.00 0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 55.82 3lqj n LEU 1613Cb 0.08 -1.28 0.02 0.00 -2.33 0.00 0.00 43.42 39.91 3lqj n LEU 1613CO 0.09 -2.96 0.77 -2.16 -1.33 0.00 0.00 177.39 171.80 3lqj s PRO 1614N -4.14 3.18 0.41 3.23 0.04 -1.26 -4.82 135.00 131.64 3lqj s PRO 1614Ca 0.63 1.52 0.18 0.00 0.04 0.00 0.00 61.00 63.37 3lqj s PRO 1614Cb -0.21 -1.99 0.96 0.00 0.04 0.00 0.00 34.50 33.29 3lqj s PRO 1614CO 0.63 -0.97 1.47 1.49 0.04 0.00 0.00 177.00 179.66 3lqj h GLU 1615N 0.79 0.00 0.00 4.56 4.81 -1.99 0.44 114.58 123.19 3lqj h GLU 1615Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3lqj h GLU 1615Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3lqj h GLU 1615CO 0.56 0.00 0.00 0.77 -0.73 0.00 0.00 179.01 179.61 3lqj h SER 1616N 0.00 0.00 -3.38 1.04 0.02 -2.01 -3.41 113.55 105.81 3lqj h SER 1616Ca 0.00 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.22 3lqj h SER 1616Cb 0.59 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.83 3lqj h SER 1616CO 0.00 0.00 -0.36 -0.69 -1.14 0.00 0.00 176.83 174.64 3lqj s VAL 1617N -3.27 4.26 0.10 2.27 1.01 0.15 -5.08 120.40 119.85 3lqj s VAL 1617Ca 0.07 -1.91 -0.17 0.00 0.00 0.00 0.00 61.98 59.97 3lqj s VAL 1617Cb 0.08 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 3lqj s VAL 1617CO 0.61 -0.80 0.56 0.00 0.00 0.00 0.00 175.10 175.47 3lqj s ALA 1618N 1.20 3.58 0.54 5.51 0.00 -1.26 -4.78 121.76 126.54 3lqj s ALA 1618Ca 0.07 -0.03 -0.19 0.00 0.00 0.00 0.00 51.96 51.82 3lqj s ALA 1618Cb -0.25 -2.59 -0.06 0.00 0.00 0.00 0.00 23.12 20.22 3lqj s ALA 1618CO -0.01 0.42 1.07 -0.47 0.00 0.00 0.00 175.76 176.77 3lqj s TYR 1619N -1.25 2.88 -0.04 0.00 5.04 -1.26 -4.60 117.35 118.11 3lqj s TYR 1619Ca 0.32 1.55 -0.01 0.00 -2.44 0.00 0.00 57.07 56.49 3lqj s TYR 1619Cb -0.18 -3.12 0.03 0.00 0.35 0.00 0.00 41.96 39.04 3lqj s TYR 1619CO 0.19 -1.16 0.07 -0.08 -1.34 0.00 0.00 175.55 173.23 3lqj s THR 1620N -2.05 -0.09 0.82 4.34 -1.32 -1.26 -0.61 115.64 115.47 3lqj s THR 1620Ca 0.68 0.26 -0.11 0.00 -1.21 0.00 0.00 61.69 61.32 3lqj s THR 1620Cb -0.19 -0.15 0.08 0.00 -1.51 0.00 0.00 72.50 70.74 3lqj s THR 1620CO 0.27 0.11 1.09 0.00 -2.21 0.00 0.00 174.62 173.88 3lqj h VAL 1622N -1.29 0.07 0.00 0.00 2.07 -2.01 -1.03 116.25 114.05 3lqj h VAL 1622Ca -0.45 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 3lqj h VAL 1622Cb 1.25 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3lqj h VAL 1622CO 0.52 0.00 -0.17 0.78 0.02 0.00 0.00 177.57 178.72 3lqj h ASN 1623N -0.45 0.00 0.83 0.57 2.35 -2.03 -0.76 115.58 116.09 3lqj h ASN 1623Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3lqj h ASN 1623Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3lqj h ASN 1623CO -0.50 0.17 -0.14 0.00 -1.65 0.00 0.00 177.43 175.32 3lqj s THR 1625N -2.97 4.65 -0.12 0.00 2.01 -0.29 -4.90 115.64 114.03 3lqj s THR 1625Ca 0.14 1.61 -0.15 0.00 0.31 0.00 0.00 61.69 63.60 3lqj s THR 1625Cb 0.19 -4.29 -0.13 0.00 0.01 0.00 0.00 72.50 68.27 3lqj s THR 1625CO 0.57 -0.32 0.39 -0.08 -0.69 0.00 0.00 174.62 174.49 3lqj h GLU 1626N 7.95 -0.00 -5.56 4.92 4.57 -1.84 -3.46 114.58 121.15 3lqj h GLU 1626Ca -0.22 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.31 3lqj h GLU 1626Cb 1.07 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 29.45 3lqj h GLU 1626CO 0.96 0.50 -0.69 1.03 -1.18 0.00 0.00 179.01 179.63 3lqj s ARG 1627N -1.91 3.33 0.05 1.92 1.81 -1.26 -5.12 118.95 117.78 3lqj s ARG 1627Ca -0.10 -0.56 0.02 0.00 -1.72 0.00 0.00 55.73 53.37 3lqj s ARG 1627Cb -0.01 -2.76 -0.04 0.00 -0.45 0.00 0.00 34.95 31.69 3lqj s ARG 1627CO 0.35 0.37 0.05 -1.01 -0.68 0.00 0.00 175.30 174.38 3lqj s HIS 1628N -0.00 3.16 0.53 -0.53 3.76 -1.26 -3.85 115.29 117.09 3lqj s HIS 1628Ca -0.01 0.09 -0.22 0.00 -0.15 0.00 0.00 55.06 54.78 3lqj s HIS 1628Cb -0.14 -1.64 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 3lqj s HIS 1628CO 0.03 0.51 1.29 -2.14 -0.85 0.00 0.00 174.74 173.58 3lqj s PRO 1629N -2.06 3.29 0.30 8.40 0.02 -1.26 -5.09 135.00 138.60 3lqj s PRO 1629Ca 0.25 2.08 -0.30 0.00 0.02 0.00 0.00 61.00 63.05 3lqj s PRO 1629Cb -0.12 -2.27 -0.12 0.00 0.02 0.00 0.00 34.50 32.01 3lqj s PRO 1629CO 0.17 -1.02 1.52 0.00 -0.33 0.00 0.00 177.00 177.34 3lqj n ALA 1630N -0.93 2.14 -0.20 -1.55 0.00 -1.25 -4.87 120.51 113.85 3lqj n ALA 1630Ca 0.10 0.37 0.09 0.00 0.00 0.00 0.00 53.44 54.00 3lqj n ALA 1630Cb 0.46 -2.40 0.38 0.00 0.00 0.00 0.00 19.45 17.89 3lqj n ALA 1630CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3lqj h GLU 1631N 4.25 0.66 -0.12 0.00 4.57 -1.96 -0.86 114.58 121.13 3lqj h GLU 1631Ca -0.47 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 3lqj h GLU 1631Cb 1.24 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 3lqj h GLU 1631CO 0.75 0.44 0.04 0.11 -1.18 0.00 0.00 179.01 179.17 3lqj h TRP 1632N 0.68 0.16 0.10 0.92 5.08 -1.89 -0.11 115.95 120.89 3lqj h TRP 1632Ca 0.35 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.32 3lqj h TRP 1632Cb 0.45 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 26.56 3lqj h TRP 1632CO -0.00 0.13 -0.05 0.00 -1.28 0.00 0.00 178.44 177.24 3lqj h ARG 1633N 0.16 -0.13 -0.79 0.12 3.08 -1.51 0.98 114.38 116.29 3lqj h ARG 1633Ca 0.04 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3lqj h ARG 1633Cb 0.04 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3lqj h ARG 1633CO -0.00 0.22 0.32 1.25 -1.07 0.00 0.00 179.97 180.69 3lqj h LEU 1634N -0.49 1.09 -0.82 3.04 5.85 -1.39 -1.37 115.31 121.21 3lqj h LEU 1634Ca -0.01 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3lqj h LEU 1634Cb 0.41 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3lqj h LEU 1634CO 0.02 0.96 0.49 0.00 -0.34 0.00 0.00 178.44 179.58 3lqj h ALA 1635N 1.17 1.04 -0.11 1.25 0.00 -0.95 -1.24 119.26 120.42 3lqj h ALA 1635Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3lqj h ALA 1635Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3lqj h ALA 1635CO -0.02 0.51 0.05 1.25 0.00 0.00 0.00 179.25 181.03 3lqj h LEU 1636N 1.12 0.15 -0.49 0.00 5.85 -0.30 -0.20 115.31 121.44 3lqj h LEU 1636Ca 0.29 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3lqj h LEU 1636Cb -0.04 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3lqj h LEU 1636CO -0.06 0.23 0.30 -0.08 -0.34 0.00 0.00 178.44 178.50 3lqj h GLU 1637N 0.05 0.58 -0.67 1.25 4.22 -1.04 -2.41 114.58 116.56 3lqj h GLU 1637Ca 0.04 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 3lqj h GLU 1637Cb 0.13 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3lqj h GLU 1637CO -0.00 0.39 0.22 0.87 -2.18 0.00 0.00 179.01 178.30 3lqj h LYS 1638N 0.60 1.04 -0.41 1.92 1.57 -1.11 -2.87 116.57 117.31 3lqj h LYS 1638Ca 0.19 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3lqj h LYS 1638Cb -0.00 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3lqj h LYS 1638CO -0.08 0.90 0.22 1.49 -0.57 0.00 0.00 179.45 181.41 3lqj h GLU 1639N 0.98 0.44 0.05 3.15 4.57 -0.67 0.16 114.58 123.25 3lqj h GLU 1639Ca 0.22 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3lqj h GLU 1639Cb 0.28 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3lqj h GLU 1639CO -0.01 0.29 -0.03 1.25 -1.18 0.00 0.00 179.01 179.33 3lqj h LEU 1640N 0.45 -0.06 -0.89 1.64 5.85 -1.35 -0.66 115.31 120.29 3lqj h LEU 1640Ca 0.17 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3lqj h LEU 1640Cb 0.05 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3lqj h LEU 1640CO -0.10 0.00 0.38 1.56 -0.34 0.00 0.00 178.44 179.94 3lqj h GLN 1641N -0.12 1.18 -0.44 1.25 1.08 -1.27 -1.04 115.11 115.75 3lqj h GLN 1641Ca -0.01 -0.18 -0.12 0.00 -1.45 0.00 0.00 58.65 56.89 3lqj h GLN 1641Cb 0.10 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3lqj h GLN 1641CO 0.01 0.92 -0.20 0.82 -0.95 0.00 0.00 178.83 179.43 3lqj h ILE 1642N 1.17 1.27 -0.44 2.54 2.04 -0.57 -1.33 117.51 122.19 3lqj h ILE 1642Ca 0.28 -1.34 -0.13 0.00 1.00 0.00 0.00 64.86 64.67 3lqj h ILE 1642Cb 0.14 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3lqj h ILE 1642CO -0.03 0.46 -0.23 0.28 0.00 0.00 0.00 178.15 178.62 3lqj h SER 1643N 0.76 0.97 -0.60 1.72 0.02 -0.82 0.15 113.55 115.76 3lqj h SER 1643Ca 0.11 -0.41 -0.05 0.00 -0.84 0.00 0.00 61.79 60.59 3lqj h SER 1643Cb 0.74 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 3lqj h SER 1643CO 0.06 1.17 0.17 -0.07 -1.14 0.00 0.00 176.83 177.01 3lqj h LEU 1644N 0.78 0.88 -0.76 5.07 3.38 -1.09 -2.17 115.31 121.40 3lqj h LEU 1644Ca 0.10 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3lqj h LEU 1644Cb 0.81 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3lqj h LEU 1644CO 0.07 0.87 -0.23 0.50 0.09 0.00 0.00 178.44 179.74 3lqj h LYS 1645N 0.85 0.69 -0.37 1.13 3.64 -1.04 -1.20 116.57 120.28 3lqj h LYS 1645Ca 0.19 -0.27 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3lqj h LYS 1645Cb 0.32 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3lqj h LYS 1645CO -0.00 0.86 0.09 0.37 -2.27 0.00 0.00 179.45 178.50 3lqj h GLN 1646N 0.61 0.22 0.27 1.90 4.15 -0.29 0.23 115.11 122.20 3lqj h GLN 1646Ca 0.09 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3lqj h GLN 1646Cb 0.71 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.35 3lqj h GLN 1646CO 0.05 0.15 -0.13 0.28 -1.93 0.00 0.00 178.83 177.25 3lqj h VAL 1647N 0.23 0.77 -0.64 2.39 2.07 -1.16 -2.85 116.25 117.06 3lqj h VAL 1647Ca 0.18 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.14 3lqj h VAL 1647Cb 0.19 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3lqj h VAL 1647CO -0.21 0.13 0.34 0.25 0.02 0.00 0.00 177.57 178.09 3lqj h LEU 1648N -0.70 0.48 -0.92 2.57 5.85 -1.05 -1.52 115.31 120.02 3lqj h LEU 1648Ca -0.04 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.80 3lqj h LEU 1648Cb 0.48 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 3lqj h LEU 1648CO 0.06 0.30 0.57 0.74 -0.34 0.00 0.00 178.44 179.77 3lqj h THR 1649N 0.62 1.01 -0.53 1.05 2.02 -0.56 0.11 112.91 116.63 3lqj h THR 1649Ca 0.30 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 3lqj h THR 1649Cb 0.22 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 3lqj h THR 1649CO -0.20 0.18 -0.04 0.00 0.37 0.00 0.00 175.52 175.83 3lqj h ALA 1650N 1.45 0.72 -0.71 6.16 0.00 -1.09 -0.79 119.26 125.01 3lqj h ALA 1650Ca 0.42 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3lqj h ALA 1650Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3lqj h ALA 1650CO -0.20 0.57 0.30 -0.07 0.00 0.00 0.00 179.25 179.85 3lqj h LEU 1651N 0.83 0.96 -0.39 0.00 3.38 -0.32 -2.92 115.31 116.85 3lqj h LEU 1651Ca 0.14 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3lqj h LEU 1651Cb 0.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3lqj h LEU 1651CO 0.04 0.86 -0.16 -0.07 0.09 0.00 0.00 178.44 179.19 3lqj h LEU 1652N 1.00 0.82 -1.14 1.67 3.38 -0.61 -3.15 115.31 117.29 3lqj h LEU 1652Ca 0.24 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3lqj h LEU 1652Cb 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3lqj h LEU 1652CO -0.02 1.03 0.00 0.59 0.09 0.00 0.00 178.44 180.13 3lqj n ASN 1653N -4.28 1.51 -4.89 -0.43 3.02 -0.32 -4.87 115.26 105.01 3lqj n ASN 1653Ca -0.02 -2.11 -0.35 0.00 -0.03 0.00 0.00 54.58 52.07 3lqj n ASN 1653Cb 0.41 -0.36 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 3lqj n ASN 1653CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3lqj s SER 1654N -0.52 6.39 0.05 6.41 0.15 -1.11 -4.97 113.70 120.10 3lqj s SER 1654Ca 0.11 0.42 0.21 0.00 0.70 0.00 0.00 55.95 57.40 3lqj s SER 1654Cb 0.07 -2.04 0.88 0.00 -1.71 0.00 0.00 66.02 63.22 3lqj s SER 1654CO 0.05 0.33 1.67 -2.11 1.20 0.00 0.00 173.24 174.38 3lqj n ARG 1655N 1.45 0.05 0.00 5.44 -4.01 -1.26 -2.71 116.66 115.62 3lqj n ARG 1655Ca -0.15 0.19 0.12 0.00 -1.04 0.00 0.00 57.85 56.97 3lqj n ARG 1655Cb 0.54 -1.57 0.23 0.00 -3.04 0.00 0.00 32.46 28.62 3lqj n ARG 1655CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 3lqj n THR 1656N -1.66 0.00 0.62 8.89 -2.24 -1.26 -4.10 114.28 114.53 3lqj n THR 1656Ca 0.05 -0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.89 3lqj n THR 1656Cb 0.25 0.36 0.09 0.00 -2.10 0.00 0.00 70.33 68.94 3lqj n THR 1656CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3lqj n THR 1657N -1.33 0.10 -0.33 4.28 -2.24 -1.10 -4.65 114.28 109.01 3lqj n THR 1657Ca 0.07 -0.55 0.28 0.00 -2.27 0.00 0.00 64.05 61.58 3lqj n THR 1657Cb 0.34 1.27 0.61 0.00 -2.10 0.00 0.00 70.33 70.45 3lqj n THR 1657CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3lqj h SER 1658N 3.37 0.26 0.11 3.42 4.64 -1.71 -0.13 113.55 123.52 3lqj h SER 1658Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3lqj h SER 1658Cb 0.74 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3lqj h SER 1658CO 0.00 0.03 -0.02 0.00 -0.87 0.00 0.00 176.83 175.97 3lqj n HIS 1659N -4.46 0.00 0.02 4.77 1.44 -1.26 -3.32 115.22 112.41 3lqj n HIS 1659Ca 0.26 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 56.00 3lqj n HIS 1659Cb 1.06 -0.06 0.06 0.00 0.12 0.00 0.00 29.99 31.17 3lqj n HIS 1659CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3lqj n LEU 1660N -0.76 2.17 -0.08 2.39 4.77 -0.07 -4.62 117.00 120.80 3lqj n LEU 1660Ca 0.20 -1.66 -0.15 0.00 -0.03 0.00 0.00 56.01 54.37 3lqj n LEU 1660Cb 0.21 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3lqj n LEU 1660CO 0.19 0.52 0.43 -0.07 -1.33 0.00 0.00 177.39 177.13 3lqj h LEU 1661N 1.15 0.99 -7.75 2.23 3.38 -1.54 -0.55 115.31 113.22 3lqj h LEU 1661Ca 0.00 -0.53 -0.43 0.00 0.09 0.00 0.00 57.88 57.01 3lqj h LEU 1661Cb 0.50 -0.28 -0.34 0.00 0.09 0.00 0.00 40.66 40.62 3lqj h LEU 1661CO 0.00 1.34 -0.78 -0.60 0.09 0.00 0.00 178.44 178.49 3lqj s ARG 1662N -4.12 0.94 0.34 1.13 3.52 -1.26 -2.26 118.95 117.24 3lqj s ARG 1662Ca -0.11 -0.13 -0.26 0.00 -0.13 0.00 0.00 55.73 55.10 3lqj s ARG 1662Cb 0.10 -0.94 -0.09 0.00 -1.56 0.00 0.00 34.95 32.45 3lqj s ARG 1662CO 0.89 -0.09 1.05 -0.47 -0.81 0.00 0.00 175.30 175.87 3lqj s TYR 1663N 1.00 3.45 -0.34 5.12 5.04 -1.26 -5.02 117.35 125.33 3lqj s TYR 1663Ca -0.10 1.69 0.14 0.00 -2.44 0.00 0.00 57.07 56.37 3lqj s TYR 1663Cb -0.14 -3.14 0.43 0.00 0.35 0.00 0.00 41.96 39.45 3lqj s TYR 1663CO -0.00 -0.44 1.27 2.89 -1.34 0.00 0.00 175.55 177.93 3lqj n ARG 1664N 0.48 1.32 -1.82 4.97 -4.01 -1.26 -5.09 116.66 111.24 3lqj n ARG 1664Ca 0.02 -2.27 -0.38 0.00 -1.04 0.00 0.00 57.85 54.18 3lqj n ARG 1664Cb 0.48 -0.45 0.04 0.00 -3.04 0.00 0.00 32.46 29.49 3lqj n ARG 1664CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 3lqj s GLN 1703N -1.23 3.17 -0.46 2.89 -0.21 -1.26 -5.26 119.66 117.31 3lqj s GLN 1703Ca 0.21 2.19 0.03 0.00 0.02 0.00 0.00 55.36 57.80 3lqj s GLN 1703Cb 0.41 -2.25 0.15 0.00 1.00 0.00 0.00 33.01 32.32 3lqj s GLN 1703CO -0.06 -1.15 0.32 -0.65 -2.12 0.00 0.00 175.29 171.62 3lqj s GLN 1704N -2.91 1.22 0.28 2.91 -0.21 -1.26 -5.12 119.66 114.57 3lqj s GLN 1704Ca 0.71 -2.16 -0.30 0.00 0.02 0.00 0.00 55.36 53.63 3lqj s GLN 1704Cb -0.39 -2.00 -0.12 0.00 1.00 0.00 0.00 33.01 31.50 3lqj s GLN 1704CO 0.46 -1.28 1.56 -2.30 -2.12 0.00 0.00 175.29 171.62 3lqj n PRO 1705N 3.10 2.58 -0.02 2.91 -0.02 -1.26 -4.93 135.00 137.35 3lqj n PRO 1705Ca 0.19 0.92 0.12 0.00 -2.02 0.00 0.00 63.50 62.71 3lqj n PRO 1705Cb 0.40 -2.68 0.14 0.00 -0.02 0.00 0.00 33.50 31.34 3lqj n PRO 1705CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3lqj n LEU 1706N 2.20 2.98 -3.88 2.45 4.32 -1.26 -4.82 117.00 118.98 3lqj n LEU 1706Ca 0.09 -1.03 -0.09 0.00 -0.02 0.00 0.00 56.01 54.96 3lqj n LEU 1706Cb 0.36 -0.03 -0.05 0.00 -1.62 0.00 0.00 43.42 42.08 3lqj n LEU 1706CO 0.64 0.52 0.17 1.51 -1.22 0.00 0.00 177.39 179.01 3lqj s ASP 1707N -1.94 -0.13 0.37 -1.43 1.47 -1.26 -4.65 116.67 109.11 3lqj s ASP 1707Ca 0.30 -0.72 0.07 0.00 1.18 0.00 0.00 52.55 53.37 3lqj s ASP 1707Cb 0.20 0.55 0.73 0.00 -0.34 0.00 0.00 42.92 44.07 3lqj s ASP 1707CO 0.30 -1.05 1.94 -0.07 0.68 0.00 0.00 175.17 176.98 3lqj h LEU 1708N 2.30 0.41 -1.72 2.11 3.38 -1.16 -0.95 115.31 119.67 3lqj h LEU 1708Ca -0.28 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 3lqj h LEU 1708Cb 1.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3lqj h LEU 1708CO 0.39 0.44 -0.17 -0.33 0.09 0.00 0.00 178.44 178.86 3lqj h GLU 1709N 0.44 0.00 0.08 1.13 5.08 -1.69 0.88 114.58 120.48 3lqj h GLU 1709Ca 0.10 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.19 3lqj h GLU 1709Cb 0.22 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.49 3lqj h GLU 1709CO 0.00 0.17 -1.14 0.78 -1.00 0.00 0.00 179.01 177.82 3lqj h GLY 1710N 0.94 0.58 1.11 -3.84 0.00 -1.46 -2.23 103.07 98.17 3lqj h GLY 1710Ca -0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 47.33 46.07 3lqj h GLY 1710CO 0.02 1.02 -0.05 -2.08 0.00 0.00 0.00 176.54 175.45 3lqj h VAL 1711N 0.24 1.27 -0.44 4.60 2.07 -0.85 -0.75 116.25 122.38 3lqj h VAL 1711Ca -0.14 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.22 3lqj h VAL 1711Cb 1.81 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 3lqj h VAL 1711CO 0.21 0.43 0.16 0.50 0.02 0.00 0.00 177.57 178.90 3lqj h LYS 1712N 0.95 0.33 -0.29 1.57 3.11 -0.80 0.97 116.57 122.41 3lqj h LYS 1712Ca 0.16 -0.02 -0.17 0.00 -2.81 0.00 0.00 60.65 57.81 3lqj h LYS 1712Cb 0.62 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.77 3lqj h LYS 1712CO 0.04 0.22 -0.51 0.00 -2.81 0.00 0.00 179.45 176.39 3lqj h ARG 1713N 0.34 0.82 -0.30 1.90 3.08 -1.17 -1.44 114.38 117.60 3lqj h ARG 1713Ca 0.20 -0.49 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 3lqj h ARG 1713Cb 0.19 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3lqj h ARG 1713CO -0.20 1.12 0.02 -0.22 -1.07 0.00 0.00 179.97 179.62 3lqj h LYS 1714N 0.64 0.44 0.05 0.04 3.64 -0.67 -2.58 116.57 118.12 3lqj h LYS 1714Ca 0.03 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3lqj h LYS 1714Cb 1.09 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3lqj h LYS 1714CO 0.11 0.46 -0.02 1.98 -2.27 0.00 0.00 179.45 179.70 3lqj h MET 1715N 0.43 -0.06 -0.08 1.90 4.05 -0.63 -1.38 114.93 119.17 3lqj h MET 1715Ca 0.10 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.54 3lqj h MET 1715Cb 0.25 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.06 3lqj h MET 1715CO 0.00 0.57 0.09 -0.44 0.23 0.00 0.00 176.91 177.36 3lqj h ASP 1716N -0.80 0.00 -0.21 1.39 3.32 -1.22 0.20 116.42 119.10 3lqj h ASP 1716Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3lqj h ASP 1716Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3lqj h ASP 1716CO 0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3lqj n GLN 1717N -3.87 1.58 -2.13 3.56 6.02 -0.98 -4.92 117.38 116.64 3lqj n GLN 1717Ca -0.01 -0.89 -0.13 0.00 -0.01 0.00 0.00 57.00 55.96 3lqj n GLN 1717Cb 0.19 -1.27 -0.01 0.00 1.02 0.00 0.00 30.24 30.17 3lqj n GLN 1717CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3lqj n GLY 1718N 0.97 0.03 0.02 1.08 0.00 0.70 -4.94 105.19 103.05 3lqj n GLY 1718Ca 0.11 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.91 3lqj n GLY 1718CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lqj n ASN 1719N -0.40 0.27 -4.61 1.61 4.13 -0.52 -4.75 115.26 110.99 3lqj n ASN 1719Ca -0.15 0.31 -0.39 0.00 1.68 0.00 0.00 54.58 56.02 3lqj n ASN 1719Cb 0.59 -0.31 -0.09 0.00 -1.54 0.00 0.00 39.78 38.43 3lqj n ASN 1719CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3lqj s TYR 1720N -3.02 3.25 -0.73 3.10 2.02 -1.26 -4.89 117.35 115.81 3lqj s TYR 1720Ca 0.12 0.43 0.07 0.00 -0.37 0.00 0.00 57.07 57.32 3lqj s TYR 1720Cb 0.17 -2.59 0.03 0.00 -0.40 0.00 0.00 41.96 39.17 3lqj s TYR 1720CO 0.59 -0.24 0.62 0.25 -1.57 0.00 0.00 175.55 175.20 3lqj n THR 1721N 5.13 0.00 -3.88 -0.71 -2.24 -1.26 -4.98 114.28 106.33 3lqj n THR 1721Ca -0.08 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.14 3lqj n THR 1721Cb 0.51 1.11 -0.07 0.00 -2.10 0.00 0.00 70.33 69.77 3lqj n THR 1721CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3lqj s SER 1722N -0.77 0.13 0.12 3.42 1.04 -1.26 -5.03 113.70 111.35 3lqj s SER 1722Ca 0.07 -0.69 -0.09 0.00 0.48 0.00 0.00 55.95 55.71 3lqj s SER 1722Cb 0.05 0.34 -0.10 0.00 0.10 0.00 0.00 66.02 66.41 3lqj s SER 1722CO 0.12 -0.74 1.33 0.58 0.98 0.00 0.00 173.24 175.50 3lqj h VAL 1723N 2.74 1.31 -0.49 5.02 2.07 -1.98 -3.23 116.25 121.70 3lqj h VAL 1723Ca -0.34 -2.06 0.03 0.00 0.82 0.00 0.00 66.70 65.15 3lqj h VAL 1723Cb 1.20 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 33.00 3lqj h VAL 1723CO 0.56 0.64 0.27 0.25 0.02 0.00 0.00 177.57 179.31 3lqj h LEU 1724N 0.45 0.41 -0.56 2.57 5.85 -1.99 -0.28 115.31 121.76 3lqj h LEU 1724Ca -0.06 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 3lqj h LEU 1724Cb 1.42 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 3lqj h LEU 1724CO 0.16 0.29 0.05 -0.08 -0.34 0.00 0.00 178.44 178.51 3lqj h GLU 1725N 0.53 0.95 -0.22 1.25 4.81 -1.99 -0.57 114.58 119.35 3lqj h GLU 1725Ca 0.20 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3lqj h GLU 1725Cb 0.07 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3lqj h GLU 1725CO -0.12 0.94 0.12 0.35 -0.73 0.00 0.00 179.01 179.57 3lqj h PHE 1726N 0.84 0.29 -0.04 0.92 3.57 -1.51 -1.07 116.94 119.93 3lqj h PHE 1726Ca 0.16 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3lqj h PHE 1726Cb 0.48 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 3lqj h PHE 1726CO 0.03 0.24 0.02 1.03 -2.23 0.00 0.00 178.31 177.41 3lqj h SER 1727N 0.25 0.05 -0.93 0.41 0.87 -0.90 -2.38 113.55 110.91 3lqj h SER 1727Ca 0.08 -0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.58 3lqj h SER 1727Cb 0.04 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 3lqj h SER 1727CO -0.01 0.13 0.61 0.44 -0.53 0.00 0.00 176.83 177.47 3lqj h ASP 1728N -0.04 1.01 -0.59 6.23 3.32 -1.01 0.19 116.42 125.54 3lqj h ASP 1728Ca 0.01 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3lqj h ASP 1728Cb 0.09 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3lqj h ASP 1728CO -0.00 0.70 0.25 0.44 -1.72 0.00 0.00 179.24 178.90 3lqj h ASP 1729N 1.18 0.80 -0.38 6.45 3.32 -1.04 -1.40 116.42 125.35 3lqj h ASP 1729Ca 0.37 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 3lqj h ASP 1729Cb 0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3lqj h ASP 1729CO -0.11 0.74 -0.25 0.40 -1.72 0.00 0.00 179.24 178.30 3lqj h ILE 1730N 0.81 1.28 -0.58 0.35 1.08 -0.81 -2.58 117.51 117.06 3lqj h ILE 1730Ca 0.20 -1.40 0.04 0.00 -0.39 0.00 0.00 64.86 63.31 3lqj h ILE 1730Cb 0.18 1.35 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 3lqj h ILE 1730CO -0.02 0.47 0.33 0.58 -0.69 0.00 0.00 178.15 178.82 3lqj h VAL 1731N 0.64 1.02 -0.74 1.67 2.07 -0.48 0.14 116.25 120.57 3lqj h VAL 1731Ca 0.08 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.39 3lqj h VAL 1731Cb 0.82 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3lqj h VAL 1731CO 0.07 0.12 0.48 0.11 0.02 0.00 0.00 177.57 178.37 3lqj h LYS 1732N 0.65 0.93 -0.34 1.57 1.57 -1.16 0.45 116.57 120.23 3lqj h LYS 1732Ca 0.25 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3lqj h LYS 1732Cb 0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3lqj h LYS 1732CO -0.13 0.62 0.04 0.82 -0.57 0.00 0.00 179.45 180.22 3lqj h ILE 1733N 0.96 1.24 -0.34 1.86 2.04 -0.97 0.41 117.51 122.71 3lqj h ILE 1733Ca 0.28 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 3lqj h ILE 1733Cb -0.05 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3lqj h ILE 1733CO -0.08 0.29 -0.00 0.40 0.00 0.00 0.00 178.15 178.76 3lqj h ILE 1734N 0.41 1.26 -0.52 -0.67 2.04 -0.65 -2.49 117.51 116.88 3lqj h ILE 1734Ca 0.10 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 3lqj h ILE 1734Cb 0.39 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3lqj h ILE 1734CO 0.01 0.32 0.13 -0.61 0.00 0.00 0.00 178.15 178.00 3lqj h GLN 1735N 0.41 0.79 -0.61 2.37 5.75 -0.03 -1.53 115.11 122.26 3lqj h GLN 1735Ca 0.10 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 3lqj h GLN 1735Cb 0.45 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 3lqj h GLN 1735CO 0.02 0.71 0.20 0.00 -2.65 0.00 0.00 178.83 177.11 3lqj h ALA 1736N 1.38 0.80 -0.46 3.38 0.00 -0.77 -1.29 119.26 122.30 3lqj h ALA 1736Ca 0.17 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3lqj h ALA 1736Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3lqj h ALA 1736CO -0.00 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.70 3lqj h ALA 1737N 1.07 1.12 -0.48 0.00 0.00 -0.99 -2.57 119.26 117.41 3lqj h ALA 1737Ca 0.20 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3lqj h ALA 1737Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3lqj h ALA 1737CO -0.01 0.56 -0.11 0.82 0.00 0.00 0.00 179.25 180.51 3lqj h ILE 1738N 0.72 1.26 0.00 0.00 2.04 -0.90 -2.07 117.51 118.56 3lqj h ILE 1738Ca 0.14 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 3lqj h ILE 1738Cb 0.45 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3lqj h ILE 1738CO 0.02 0.42 -0.19 0.78 0.00 0.00 0.00 178.15 179.18 3lqj h ASN 1739N 0.79 0.00 -0.27 1.72 2.35 -0.98 -3.19 115.58 115.99 3lqj h ASN 1739Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3lqj h ASN 1739Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3lqj h ASN 1739CO 0.04 0.19 0.00 -1.54 -1.65 0.00 0.00 177.43 174.47 3lqj n SER 1740N -3.38 2.76 -2.81 5.81 3.41 -0.99 -4.66 113.62 113.76 3lqj n SER 1740Ca 0.00 -1.84 -0.32 0.00 -0.26 0.00 0.00 58.87 56.45 3lqj n SER 1740Cb 0.40 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3lqj n SER 1740CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3lqj n ASP 1741N 0.74 6.98 -4.67 4.04 3.85 -0.80 -4.98 116.55 121.72 3lqj n ASP 1741Ca 0.12 -3.32 -0.42 0.00 -0.71 0.00 0.00 54.79 50.46 3lqj n ASP 1741Cb 0.42 -1.23 -0.03 0.00 -1.35 0.00 0.00 41.12 38.93 3lqj n ASP 1741CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3lqj s GLY 1742N 0.04 1.51 -0.96 6.12 0.00 -1.26 -3.81 107.32 108.97 3lqj s GLY 1742Ca 0.56 1.12 -0.12 0.00 0.00 0.00 0.00 44.72 46.29 3lqj s GLY 1742CO -0.22 3.13 0.68 0.61 0.00 0.00 0.00 173.10 177.29 3lqj n GLY 1743N 4.22 -1.14 3.49 0.20 0.00 -1.26 -5.00 105.19 105.69 3lqj n GLY 1743Ca 0.18 0.50 0.01 0.00 0.00 0.00 0.00 46.02 46.70 3lqj n GLY 1743CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3lqj s GLN 1744N -5.37 0.26 0.75 1.61 2.00 -1.25 -5.14 119.66 112.52 3lqj s GLN 1744Ca 0.21 0.54 -0.08 0.00 -2.00 0.00 0.00 55.36 54.03 3lqj s GLN 1744Cb -0.09 0.22 0.09 0.00 0.80 0.00 0.00 33.01 34.02 3lqj s GLN 1744CO 0.88 -0.07 1.07 -2.14 -0.50 0.00 0.00 175.29 174.53 3lqj s PRO 1745N 1.85 1.92 0.00 1.67 0.02 -1.26 -2.03 135.00 137.18 3lqj s PRO 1745Ca -0.05 -0.32 0.00 0.00 0.02 0.00 0.00 61.00 60.65 3lqj s PRO 1745Cb -0.04 -2.12 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3lqj s PRO 1745CO -0.15 -1.45 0.00 -1.91 -0.33 0.00 0.00 177.00 173.15 3lqj n GLU 1746N -3.07 0.00 0.00 5.54 4.07 -1.26 -4.07 120.64 121.86 3lqj n GLU 1746Ca 0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 3lqj n GLU 1746Cb 0.60 -3.23 0.00 0.00 -0.06 0.00 0.00 31.44 28.76 3lqj n GLU 1746CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3lqj n ILE 1747N -2.00 0.00 -0.01 6.31 -0.00 -1.25 -3.64 119.36 118.76 3lqj n ILE 1747Ca 0.00 -0.21 -0.02 0.00 -0.00 0.00 0.00 62.75 62.53 3lqj n ILE 1747Cb 0.00 0.81 -0.01 0.00 -0.00 0.00 0.00 39.64 40.44 3lqj n ILE 1747CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 3lqj n LYS 1748N -0.64 0.05 0.02 0.38 4.81 -0.86 -4.17 118.16 117.75 3lqj n LYS 1748Ca 0.00 0.02 -0.12 0.00 -0.87 0.00 0.00 58.31 57.33 3lqj n LYS 1748Cb 0.00 -0.84 -0.09 0.00 0.02 0.00 0.00 35.03 34.12 3lqj n LYS 1748CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3lqj h LYS 1749N -0.04 -0.12 -0.60 1.64 3.64 -1.81 -2.78 116.57 116.50 3lqj h LYS 1749Ca -0.05 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3lqj h LYS 1749Cb 1.06 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 3lqj h LYS 1749CO -0.02 0.37 0.39 0.00 -2.27 0.00 0.00 179.45 177.92 3lqj h ALA 1750N 0.05 0.76 -0.95 5.00 0.00 -1.85 -2.00 119.26 120.28 3lqj h ALA 1750Ca -0.01 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.00 3lqj h ALA 1750Cb 0.55 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 3lqj h ALA 1750CO 0.02 0.22 0.56 -0.91 0.00 0.00 0.00 179.25 179.13 3lqj h ASN 1751N 0.81 0.73 1.01 0.00 4.21 -1.72 0.13 115.58 120.75 3lqj h ASN 1751Ca 0.22 0.09 -0.14 0.00 1.21 0.00 0.00 56.30 57.68 3lqj h ASN 1751Cb -0.07 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 3lqj h ASN 1751CO -0.04 0.30 -0.65 -1.28 -1.29 0.00 0.00 177.43 174.47 3lqj h SER 1752N 0.76 0.00 0.72 5.81 0.87 -1.12 -1.50 113.55 119.10 3lqj h SER 1752Ca 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 3lqj h SER 1752Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3lqj h SER 1752CO -0.35 0.65 -0.34 1.15 -0.53 0.00 0.00 176.83 177.41 3lqj n MET 1753N -3.46 0.03 -0.01 2.24 -0.00 -0.20 -0.48 117.12 115.24 3lqj n MET 1753Ca 0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 57.70 57.65 3lqj n MET 1753Cb 0.72 -1.52 -0.13 0.00 -0.00 0.00 0.00 33.22 32.29 3lqj n MET 1753CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 3lqj n VAL 1754N -1.57 1.51 0.10 3.17 0.24 0.28 -2.01 118.33 120.05 3lqj n VAL 1754Ca 0.06 -0.77 -0.12 0.00 -2.04 0.00 0.00 64.34 61.47 3lqj n VAL 1754Cb 0.35 -0.96 -0.08 0.00 -1.47 0.00 0.00 33.84 31.68 3lqj n VAL 1754CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3lqj h LYS 1755N 0.00 -0.30 -0.78 7.34 3.64 -1.17 0.68 116.57 125.98 3lqj h LYS 1755Ca -0.27 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.18 3lqj h LYS 1755Cb 1.93 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.76 3lqj h LYS 1755CO 0.07 0.08 0.48 0.66 -2.27 0.00 0.00 179.45 178.47 3lqj h SER 1756N -0.83 0.77 -0.35 4.20 4.64 -0.93 0.16 113.55 121.21 3lqj h SER 1756Ca -0.03 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.33 3lqj h SER 1756Cb 0.51 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 3lqj h SER 1756CO 0.05 0.51 0.14 0.15 -0.87 0.00 0.00 176.83 176.81 3lqj h PHE 1757N 0.91 0.25 0.36 4.77 3.57 -1.33 0.01 116.94 125.48 3lqj h PHE 1757Ca 0.33 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 3lqj h PHE 1757Cb 0.09 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.78 3lqj h PHE 1757CO -0.04 0.11 -0.17 0.35 -2.23 0.00 0.00 178.31 176.33 3lqj h PHE 1758N 0.30 -0.44 -0.54 0.41 3.57 0.16 -0.00 116.94 120.40 3lqj h PHE 1758Ca 0.16 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.74 3lqj h PHE 1758Cb 0.11 0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.92 3lqj h PHE 1758CO -0.13 -0.17 0.10 0.82 -2.23 0.00 0.00 178.31 176.70 3lqj h ILE 1759N -0.66 0.68 -0.47 1.41 2.04 -0.56 -0.23 117.51 119.72 3lqj h ILE 1759Ca -0.05 -0.08 -0.12 0.00 1.00 0.00 0.00 64.86 65.61 3lqj h ILE 1759Cb 0.47 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3lqj h ILE 1759CO 0.08 0.04 -0.19 0.03 0.00 0.00 0.00 178.15 178.12 3lqj h ARG 1760N 0.24 0.96 -0.56 2.37 3.08 -0.96 -0.63 114.38 118.88 3lqj h ARG 1760Ca 0.28 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3lqj h ARG 1760Cb 0.39 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3lqj h ARG 1760CO -0.36 1.07 0.24 0.37 -1.07 0.00 0.00 179.97 180.21 3lqj h GLN 1761N 0.81 0.83 -0.34 0.04 5.75 -0.55 -1.75 115.11 119.90 3lqj h GLN 1761Ca 0.11 -0.14 -0.09 0.00 -0.15 0.00 0.00 58.65 58.37 3lqj h GLN 1761Cb 0.76 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 3lqj h GLN 1761CO 0.06 0.71 -0.18 0.52 -2.65 0.00 0.00 178.83 177.29 3lqj h MET 1762N 0.77 0.63 -0.01 1.69 2.86 -0.95 -2.19 114.93 117.72 3lqj h MET 1762Ca 0.19 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 3lqj h MET 1762Cb 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3lqj h MET 1762CO -0.02 0.77 -0.24 1.49 1.06 0.00 0.00 176.91 179.98 3lqj h GLU 1763N 0.56 0.02 -0.07 1.72 4.81 -0.69 0.21 114.58 121.14 3lqj h GLU 1763Ca 0.09 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.16 3lqj h GLU 1763Cb 0.62 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.01 3lqj h GLU 1763CO 0.04 0.25 -0.57 -0.09 -0.73 0.00 0.00 179.01 177.92 3lqj h ARG 1764N 0.02 0.51 0.04 1.92 2.43 -0.72 -3.01 114.38 115.56 3lqj h ARG 1764Ca 0.00 -0.46 -0.27 0.00 -0.81 0.00 0.00 59.98 58.44 3lqj h ARG 1764Cb 0.43 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 3lqj h ARG 1764CO 0.03 1.09 -1.45 0.28 -1.51 0.00 0.00 179.97 178.41 3lqj h VAL 1765N 0.09 1.20 -2.10 0.20 2.07 -1.31 -3.40 116.25 113.00 3lqj h VAL 1765Ca -0.05 -2.94 -0.58 0.00 0.82 0.00 0.00 66.70 63.95 3lqj h VAL 1765Cb 1.23 2.66 -0.40 0.00 -1.52 0.00 0.00 31.29 33.25 3lqj h VAL 1765CO 0.12 0.75 -0.86 0.49 0.02 0.00 0.00 177.57 178.09 3lqj n PHE 1766N -3.28 1.55 -0.12 1.57 3.72 0.73 -4.96 117.46 116.68 3lqj n PHE 1766Ca -0.12 -3.85 0.18 0.00 -0.05 0.00 0.00 57.45 53.62 3lqj n PHE 1766Cb 1.01 -0.44 0.58 0.00 -0.94 0.00 0.00 39.48 39.69 3lqj n PHE 1766CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3lqj h PRO 1767N 4.11 0.24 0.00 -1.08 0.11 -1.68 -0.61 132.00 133.09 3lqj h PRO 1767Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3lqj h PRO 1767Cb 0.78 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3lqj h PRO 1767CO 0.64 0.16 0.00 -2.67 -0.21 0.00 0.00 178.00 175.92 3lqj n TRP 1768N -4.43 0.73 -3.67 0.65 4.27 -1.26 -4.85 117.44 108.88 3lqj n TRP 1768Ca 0.14 0.23 -0.36 0.00 -3.89 0.00 0.00 57.50 53.61 3lqj n TRP 1768Cb 0.60 -0.88 -0.06 0.00 -1.36 0.00 0.00 31.31 29.62 3lqj n TRP 1768CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3lqj s PHE 1769N -3.13 3.64 -0.46 -2.67 5.36 -0.24 -5.08 117.98 115.41 3lqj s PHE 1769Ca 0.10 0.75 -0.09 0.00 -0.96 0.00 0.00 56.93 56.72 3lqj s PHE 1769Cb 0.12 -2.11 0.11 0.00 -0.34 0.00 0.00 43.02 40.80 3lqj s PHE 1769CO 0.53 0.64 0.32 0.45 -1.46 0.00 0.00 175.22 175.70 3lqj s SER 1770N -1.34 5.66 0.20 6.13 0.15 -1.26 -4.84 113.70 118.41 3lqj s SER 1770Ca 0.24 -1.85 0.03 0.00 0.70 0.00 0.00 55.95 55.07 3lqj s SER 1770Cb -0.14 -2.00 0.14 0.00 -1.71 0.00 0.00 66.02 62.31 3lqj s SER 1770CO 0.13 -0.66 1.49 0.58 1.20 0.00 0.00 173.24 175.97 3lqj h VAL 1771N 6.14 1.41 -0.58 4.45 2.07 -1.95 -3.21 116.25 124.59 3lqj h VAL 1771Ca -0.21 -2.18 0.10 0.00 0.82 0.00 0.00 66.70 65.23 3lqj h VAL 1771Cb 1.07 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.95 3lqj h VAL 1771CO 0.83 0.64 0.39 0.11 0.02 0.00 0.00 177.57 179.57 3lqj h LYS 1772N 0.18 0.36 -0.00 1.57 1.57 -1.96 -2.04 116.57 116.25 3lqj h LYS 1772Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3lqj h LYS 1772Cb 1.25 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3lqj h LYS 1772CO 0.11 0.24 -0.07 1.63 -0.57 0.00 0.00 179.45 180.79 3lqj n LYS 1773N -4.47 0.45 -1.50 3.15 5.02 -1.21 -4.94 118.16 114.66 3lqj n LYS 1773Ca 0.09 -0.08 -0.50 0.00 -2.02 0.00 0.00 58.31 55.80 3lqj n LYS 1773Cb 0.38 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.85 3lqj n LYS 1773CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3lqj n SER 1774N -1.20 0.08 0.30 4.39 2.88 -0.77 -4.83 113.62 114.48 3lqj n SER 1774Ca 0.13 1.15 0.19 0.00 -1.33 0.00 0.00 58.87 59.01 3lqj n SER 1774Cb 0.27 -1.06 0.92 0.00 -0.75 0.00 0.00 64.21 63.59 3lqj n SER 1774CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3lqj h ARG 1775N 2.28 0.00 -0.06 -1.46 3.08 -1.92 -3.16 114.38 113.15 3lqj h ARG 1775Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3lqj h ARG 1775Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.45 3lqj h ARG 1775CO 0.63 0.02 0.00 1.19 -1.07 0.00 0.00 179.97 180.74 3lqj n PHE 1776N -3.16 0.06 -2.75 3.04 3.72 -1.26 -4.89 117.46 112.22 3lqj n PHE 1776Ca -0.01 -0.03 -0.33 0.00 -0.05 0.00 0.00 57.45 57.03 3lqj n PHE 1776Cb 0.20 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.68 3lqj n PHE 1776CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3lqj s TRP 1777N -1.94 3.24 0.16 1.38 0.23 -1.20 -4.72 118.94 116.10 3lqj s TRP 1777Ca 0.37 1.60 0.10 0.00 -2.03 0.00 0.00 56.10 56.13 3lqj s TRP 1777Cb 0.20 -2.90 -0.04 0.00 0.03 0.00 0.00 33.47 30.76 3lqj s TRP 1777CO 0.31 -0.27 -0.21 -1.21 0.96 0.00 0.00 176.95 176.53 3lqj s GLU 1778N -3.21 1.34 0.00 4.98 0.41 -1.26 -5.10 118.70 115.86 3lqj s GLU 1778Ca 0.63 -1.41 0.31 0.00 -0.41 0.00 0.00 54.97 54.10 3lqj s GLU 1778Cb -0.11 -1.55 1.77 0.00 -1.78 0.00 0.00 34.13 32.46 3lqj s GLU 1778CO 0.15 0.33 2.15 -0.35 -0.49 0.00 0.00 175.26 177.05